N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(5-thiophen-2-yl-1,2,3,4-tetrazol-2-yl)ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(5-thiophen-2-yl-1,2,3,4-tetrazol-2-yl)ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[5-(2-thienyl)tetrazol-2-yl]acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-(5-thiophen-2-yl-2-tetrazolyl)acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[5-(2-thienyl)tetrazol-2-yl]acetamide Formula: C20H24N6O4S2 MolecularWeight: 476.57236

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CN3N=C(N=N3)C4=CC=CS4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CN3N=C(N=N3)C4=CC=CS4

InChI

InChI=1S/C20H24N6O4S2/c1-30-17-9-8-15(32(28,29)25-10-4-2-3-5-11-25)13-16(17)21-19(27)14-26-23-20(22-24-26)18-7-6-12-31-18/h6-9,12-13H,2-5,10-11,14H2,1H3,(H,21,27)